名称: 1,1-bis(5-chloro-2-hydroxy-3-nitrophenyl)methane
SMILES:
O=[N+]([O-])c1cc(Cl)cc(Cc2cc(Cl)cc([N+](=O)[O-])c2O)c1OMolecular Processing
Molecular formula
C13H8Cl2N2O6
Molecular weight
359.12
Exact mass
357.9759
XLogP
3.81
TPSA
126.74
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
82.35
Supplementary Information
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